COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.313   0.075 -10.396  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.101  -0.131  -8.919  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.642  -1.245  -8.290  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.423  -1.395  -6.930  1.00  0.00           C  
HETATM    5  C   UNL     1       0.327  -0.417  -6.278  1.00  0.00           C  
HETATM    6  N   UNL     1       0.798   0.613  -6.963  1.00  0.00           N  
HETATM    7  N   UNL     1       0.595   0.744  -8.224  1.00  0.00           N  
HETATM    8  N   UNL     1       0.576  -0.521  -4.914  1.00  0.00           N  
HETATM    9  C   UNL     1       1.380   0.646  -4.541  1.00  0.00           C  
HETATM   10  C   UNL     1       1.690   0.606  -3.044  1.00  0.00           C  
HETATM   11  C   UNL     1       0.377   0.654  -2.256  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.525  -0.491  -2.724  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.719  -0.393  -4.238  1.00  0.00           C  
HETATM   14  C   UNL     1       0.669   0.499  -0.762  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.643   0.548   0.021  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.350   0.393   1.515  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.576   0.438   2.248  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.255   0.296   3.558  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.257   0.302   4.522  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.936   0.158   5.853  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.600   0.007   6.235  1.00  0.00           C  
HETATM   22  C   UNL     1       0.404   0.008   5.263  1.00  0.00           C  
HETATM   23  C   UNL     1       0.074   0.146   3.934  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.251  -0.146   7.660  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.126  -0.142   8.503  1.00  0.00           O  
HETATM   26  O   UNL     1       1.036  -0.292   8.026  1.00  0.00           O  
HETATM   27  C   UNL     1       1.380  -0.444   9.428  1.00  0.00           C  
HETATM   28  C   UNL     1       2.896  -0.590   9.569  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.406  -0.892 -10.889  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.223   0.653 -10.556  1.00  0.00           H  
HETATM   31  H   UNL     1       0.537   0.614 -10.813  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.216  -1.972  -8.844  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.820  -2.243  -6.392  1.00  0.00           H  
HETATM   34  H   UNL     1       0.826   1.556  -4.772  1.00  0.00           H  
HETATM   35  H   UNL     1       2.313   0.639  -5.105  1.00  0.00           H  
HETATM   36  H   UNL     1       2.307   1.463  -2.776  1.00  0.00           H  
HETATM   37  H   UNL     1       2.223  -0.314  -2.807  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.119   1.608  -2.434  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.059  -1.445  -2.477  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.492  -0.419  -2.227  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.162   0.571  -4.485  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.382  -1.192  -4.571  1.00  0.00           H  
HETATM   43  H   UNL     1       1.319   1.310  -0.433  1.00  0.00           H  
HETATM   44  H   UNL     1       1.163  -0.456  -0.586  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.293  -0.262  -0.307  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.136   1.503  -0.154  1.00  0.00           H  
HETATM   47  H   UNL     1       0.299   1.203   1.844  1.00  0.00           H  
HETATM   48  H   UNL     1       0.142  -0.562   1.691  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.289   0.419   4.226  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.715   0.162   6.601  1.00  0.00           H  
HETATM   51  H   UNL     1       1.438  -0.108   5.555  1.00  0.00           H  
HETATM   52  H   UNL     1       0.849   0.143   3.183  1.00  0.00           H  
HETATM   53  H   UNL     1       0.890  -1.332   9.828  1.00  0.00           H  
HETATM   54  H   UNL     1       1.047   0.434   9.981  1.00  0.00           H  
HETATM   55  H   UNL     1       3.154  -0.704  10.622  1.00  0.00           H  
HETATM   56  H   UNL     1       3.229  -1.469   9.017  1.00  0.00           H  
HETATM   57  H   UNL     1       3.386   0.297   9.169  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7                                            
CONECT    7    2    2    6                                            
CONECT    8    5    9   13                                            
CONECT    9    8   10   34   35                                       
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   14   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13    8   12   41   42                                       
CONECT   14   11   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   23   23   51                                       
CONECT   23   18   22   22   52                                       
CONECT   24   21   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   53   54                                       
CONECT   28   27   55   56   57                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
